3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride

C10H11ClN2O — CID 122164502

IUPAC3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride
SMILESCl.N#CC1(N)COc2ccccc2C1
InChIInChI=1S/C10H10N2O.ClH/c11-6-10(12)5-8-3-1-2-4-9(8)13-7-10;/h1-4H,5,7,12H2;1H
InChIKeyPZSBMJXSZAGWSJ-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.26
Rot. Bonds

About 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride

3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride (PubChem CID 122164502) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride
PubChem CID122164502
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride
SMILESCl.N#CC1(N)COc2ccccc2C1
InChIInChI=1S/C10H10N2O.ClH/c11-6-10(12)5-8-3-1-2-4-9(8)13-7-10;/h1-4H,5,7,12H2;1H
InChIKeyPZSBMJXSZAGWSJ-UHFFFAOYSA-N
XLogP1.26
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride?
The IUPAC name of 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride (CID 122164502) is 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride.
What is the SMILES notation for 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride?
The canonical SMILES for 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride is Cl.N#CC1(N)COc2ccccc2C1.
What is the InChIKey of 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride?
The InChIKey is PZSBMJXSZAGWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.ClH/c11-6-10(12)5-8-3-1-2-4-9(8)13-7-10;/h1-4H,5,7,12H2;1H.
What are the key properties of 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride?
3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dihydrochromene-3-carbonitrile;hydrochloride is sourced from PubChem (CID 122164502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).